Vitas-M small molecule compound

dimethyl N-{[4-(4-bromo-2-fluorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}-L-aspartate

Catalog ID
STK657656
SMILES COC(=O)[C@@H](NC(=O)N1CCc2c(C1c1ccc(cc1F)Br)nc[nH]2)CC(=O)OC

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C19H20BrFN4O5 MW 483.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20BrFN4O5/c1-29-15(26)8-14(18(27)30-2)24-19(28)25-6-5-13-16(23-9-22-13)17(25)11-4-3-10(20)7-12(11)21/h3-4,7,9,14,17H,5-6,8H2,1-2H3,(H,22,23)(H,24,28)/t14-,17?/m0/s1
InChIKey
WZNRUXDZHKTIQN-MBIQTGHCSA-N
Synonyms
1212459-87-4
(2S)dimethyl2(4(4bromo2fluorophenyl)4567tetrahydro3Himidazo(45c)pyridine5carboxamido)succinate
1212459874
COC(=O)(C@@H)(NC(=O)N1CCc2c(C1c1ccc(cc1F)Br)(nH)cn2)CC(=O)OC
COC(=O)(C@@H)(NC(=O)N1CCc2c(C1c1ccc(cc1F)Br)nc(nH)2)CC(=O)OC
COC(=O)CC(C(=O)OC)NC(=O)N1CCC2=C(C1C3=C(C=C(C=C3)Br)F)N=CN2
dimethyl(2S)2((4(4bromo2fluorophenyl)1467tetrahydroimidazo(45c)pyridine5carbonyl)amino)butanedioate
dimethylN((4(4bromo2fluorophenyl)1467tetrahydro5Himidazo(45c)pyridin5yl)carbonyl)Laspartate
InChI=1SC19H20BrFN4O5c12915(26)814(18(27)302)2419(28)25651316(2392213)17(25)114310(20)712(11)21h34791417H568H212H3(H2223)(H2428)t1417?m0s1
MFCD18168111
ZINC000031810468
ZINC000031810476

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Available files

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